(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide

C10H21N3OS — CID 103813710

IUPAC(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide
SMILESCC[C@H](N)C(=O)NCCN1CCSCC1
InChIInChI=1S/C10H21N3OS/c1-2-9(11)10(14)12-3-4-13-5-7-15-8-6-13/h9H,2-8,11H2,1H3,(H,12,14)/t9-/m0/s1
InChIKeyVUBYVIBKQIJDKL-VIFPVBQESA-N
MW231.36 g/mol
LogP-0.11
Rot. Bonds5

About (2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide

(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide (PubChem CID 103813710) has the molecular formula C10H21N3OS and a molecular weight of 231.36 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide
PubChem CID103813710
Molecular FormulaC10H21N3OS
Molecular Weight231.36 g/mol
Exact Mass231.14
IUPAC Name(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide
SMILESCC[C@H](N)C(=O)NCCN1CCSCC1
InChIInChI=1S/C10H21N3OS/c1-2-9(11)10(14)12-3-4-13-5-7-15-8-6-13/h9H,2-8,11H2,1H3,(H,12,14)/t9-/m0/s1
InChIKeyVUBYVIBKQIJDKL-VIFPVBQESA-N
XLogP-0.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide
CID 106325399
(2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 79025416
2-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide
CID 113310726
2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813658
(2S)-2-amino-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]butanamide
CID 119895445
2-cyano-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 106325478
2-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)pentanamide
CID 114173777
3-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide
CID 106325226
2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 103813654
2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride
CID 119853604
(2S)-2-amino-N-[2-(4-benzylpiperazin-1-yl)ethyl]butanamide;trihydrochloride
CID 119900995
(2R)-2-amino-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide
CID 79023285

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide (CID 103813710) is (2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide is CC[C@H](N)C(=O)NCCN1CCSCC1.
What is the InChIKey of (2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide?
The InChIKey is VUBYVIBKQIJDKL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21N3OS/c1-2-9(11)10(14)12-3-4-13-5-7-15-8-6-13/h9H,2-8,11H2,1H3,(H,12,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide?
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide has a molecular weight of 231.36 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide is sourced from PubChem (CID 103813710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).